Information card for entry 2237855

Structure parameters

• Chemical name: (2<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
• Formula: C24 H26 N4 O
• Calculated formula: C24 H26 N4 O
• SMILES: Cc1ccc(cc1)n1nnc(c1C)C(=O)/C=C/c1ccc(cc1)N1CCCCC1
• Title of publication: (2<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
• Authors of publication: Abdel-Wahab, Bakr F.; Abdel-Latif, Ehab; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o639 - o640
• a: 12.9514 ± 0.0016 Å
• b: 13.1 ± 0.0013 Å
• c: 13.3735 ± 0.0014 Å
• α: 77.666 ± 0.009°
• β: 74.123 ± 0.01°
• γ: 81.044 ± 0.009°
• Cell volume: 2120.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes